pentanedioyl difluoride

C5H6F2O2 — CID 13299233

IUPACpentanedioyl difluoride
SMILESO=C(F)CCCC(=O)F
InChIInChI=1S/C5H6F2O2/c6-4(8)2-1-3-5(7)9/h1-3H2
InChIKeyVVFDXZFHSCXBLT-UHFFFAOYSA-N
MW136.10 g/mol
LogP1.15
Rot. Bonds4

About pentanedioyl difluoride

pentanedioyl difluoride (PubChem CID 13299233) has the molecular formula C5H6F2O2 and a molecular weight of 136.10 g/mol. Its IUPAC name is pentanedioyl difluoride.

Molecular Properties

Compound Namepentanedioyl difluoride
PubChem CID13299233
Molecular FormulaC5H6F2O2
Molecular Weight136.10 g/mol
Exact Mass136.03
IUPAC Namepentanedioyl difluoride
SMILESO=C(F)CCCC(=O)F
InChIInChI=1S/C5H6F2O2/c6-4(8)2-1-3-5(7)9/h1-3H2
InChIKeyVVFDXZFHSCXBLT-UHFFFAOYSA-N
XLogP1.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.10
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

decanedioyl difluoride
CID 11513974
3-aminopropanoyl fluoride
CID 141326128
4-[2-(dimethylamino)ethyldisulfanyl]butanoyl fluoride
CID 142449725
3-(diethylamino)propanoyl fluoride
CID 139607789
azane;bis(pentanedioic acid)
CID 138524332
erbium;pentanedioic acid
CID 87931794
CID 87067075
CID 87067075
pentanedioic acid;stibane
CID 173344083
5-bromo-6,6-difluorohex-5-enoic acid
CID 57142624
cadmium(2+);pentanedioate
CID 19376914
bis(antimony(3+));tris(pentanedioate)
CID 19376891
bis(1,1,3,3,3-pentafluoroprop-1-en-2-yl) pentanedioate
CID 101472859

Frequently Asked Questions

What is the IUPAC name of pentanedioyl difluoride?
The IUPAC name of pentanedioyl difluoride (CID 13299233) is pentanedioyl difluoride.
What is the SMILES notation for pentanedioyl difluoride?
The canonical SMILES for pentanedioyl difluoride is O=C(F)CCCC(=O)F.
What is the InChIKey of pentanedioyl difluoride?
The InChIKey is VVFDXZFHSCXBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2O2/c6-4(8)2-1-3-5(7)9/h1-3H2.
What are the key properties of pentanedioyl difluoride?
pentanedioyl difluoride has a molecular weight of 136.10 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentanedioyl difluoride is sourced from PubChem (CID 13299233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).